Geometry & MOs

Info

ID:	392794
PubChem CID:	135017989
Reduced:	SN2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	329.152812
ΔH_f, kcal/mol:	65.78
Dipole, Da:	1.18
IP(EA), eV:	-7.54(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-pyridin-2-ylpyrrolo[1,2-b]isoquinolin-1-yl)morpholine

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C3C=CC=CN3C(=C2)C4=CC=CS4

DOS

IR

Vibrations